UJY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.40Å | Aromatic |
| C43 | C44 | sing | 1.38Å | 1.41Å | Aromatic |
| C41 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C44 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | P31 | sing | 1.87Å | 1.91Å | |
| C39 | C38 | doub | 1.38Å | 1.41Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C45 | C46 | doub | 1.38Å | 1.40Å | Aromatic |
| C45 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| P31 | C34 | sing | 1.87Å | 1.91Å | |
| P31 | C32 | sing | 1.87Å | 1.92Å | |
| P31 | C30 | sing | 1.87Å | 1.90Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C46 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C49 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C47 | C48 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | C48 | sing | 1.38Å | 1.40Å | Aromatic |
| O29 | C51 | sing | 1.43Å | 1.41Å | |
| O29 | C23 | sing | 1.36Å | 1.41Å | |
| C51 | C50 | sing | 1.53Å | 1.56Å | |
| C30 | C50 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | doub | 1.36Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.40Å | 1.41Å | Aromatic |
| C24 | C15 | sing | 1.41Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.35Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.48Å | 1.40Å | Aromatic |
| C21 | C14 | sing | 1.41Å | 1.41Å | Aromatic |
| C16 | N12 | sing | 1.36Å | 1.33Å | Aromatic |
| C14 | C13 | doub | 1.37Å | 1.43Å | Aromatic |
| O09 | C07 | doub | 1.21Å | 1.17Å | |
| C03 | C04 | doub | 1.37Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| O52 | C02 | sing | 1.35Å | 1.41Å | |
| C02 | C01 | doub | 1.40Å | 1.39Å | Aromatic |
| N12 | C13 | sing | 1.36Å | 1.33Å | Aromatic |
| N12 | C08 | sing | 1.35Å | 1.42Å | |
| C05 | C07 | sing | 1.47Å | 1.54Å | |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C07 | N10 | sing | 1.35Å | 1.47Å | |
| C01 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| C01 | C08 | sing | 1.47Å | 1.51Å | |
| C08 | O11 | doub | 1.21Å | 1.17Å | |
| N10 | C17 | sing | 1.36Å | 1.33Å | Aromatic |
| N10 | C20 | sing | 1.36Å | 1.33Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.44Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.42Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.39Å | Aromatic |
| C18 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| C19 | C28 | sing | 1.41Å | 1.42Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.41Å | Aromatic |
| C28 | C27 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.41Å | Aromatic |
| C03 | H1 | sing | 1.08Å | 1.08Å | |
| C04 | H2 | sing | 1.08Å | 1.08Å | |
| C06 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.08Å | 1.08Å | |
| C16 | H5 | sing | 1.08Å | 1.08Å | |
| C17 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C24 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C27 | H13 | sing | 1.08Å | 1.08Å | |
| C28 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.08Å | 1.08Å | |
| C36 | H18 | sing | 1.08Å | 1.08Å | |
| C37 | H19 | sing | 1.08Å | 1.08Å | |
| C38 | H20 | sing | 1.08Å | 1.08Å | |
| C39 | H21 | sing | 1.08Å | 1.08Å | |
| C40 | H22 | sing | 1.08Å | 1.08Å | |
| C41 | H23 | sing | 1.08Å | 1.08Å | |
| C42 | H24 | sing | 1.08Å | 1.08Å | |
| C43 | H25 | sing | 1.08Å | 1.08Å | |
| C44 | H26 | sing | 1.08Å | 1.08Å | |
| C45 | H27 | sing | 1.08Å | 1.08Å | |
| C46 | H28 | sing | 1.08Å | 1.08Å | |
| C47 | H29 | sing | 1.08Å | 1.08Å | |
| C48 | H30 | sing | 1.08Å | 1.08Å | |
| C49 | H31 | sing | 1.08Å | 1.08Å | |
| C50 | H32 | sing | 1.09Å | 1.10Å | |
| C50 | H33 | sing | 1.09Å | 1.10Å | |
| C51 | H34 | sing | 1.09Å | 1.10Å | |
| C51 | H35 | sing | 1.09Å | 1.10Å | |
| O52 | H36 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C43 | C42 | C41 | 119.1° | 120.0° |
| C42 | C43 | C44 | 120.9° | 120.0° |
| C43 | C42 | H24 | 120.4° | 120.0° |
| C42 | C43 | H25 | 119.6° | 120.0° |
| C42 | C41 | C40 | 120.0° | 120.0° |
| C42 | C41 | H23 | 120.0° | 120.0° |
| C41 | C42 | H24 | 120.4° | 120.0° |
| C43 | C44 | C33 | 120.2° | 120.0° |
| C44 | C43 | H25 | 119.6° | 120.0° |
| C43 | C44 | H26 | 119.9° | 120.0° |
| C41 | C40 | C33 | 121.0° | 120.1° |
| C41 | C40 | H22 | 119.5° | 119.9° |
| C40 | C41 | H23 | 120.0° | 120.0° |
| C44 | C33 | C40 | 118.7° | 120.0° |
| C44 | C33 | P31 | 122.6° | 120.0° |
| C33 | C44 | H26 | 119.9° | 120.0° |
| C40 | C33 | P31 | 118.7° | 120.0° |
| C33 | C40 | H22 | 119.5° | 120.0° |
| C33 | P31 | C34 | 95.6° | 90.0° |
| C33 | P31 | C32 | 104.5° | 120.0° |
| C33 | P31 | C30 | 138.7° | 120.0° |
| C38 | C39 | C34 | 120.8° | 120.0° |
| C39 | C38 | C37 | 120.5° | 120.0° |
| C39 | C38 | H20 | 119.7° | 120.0° |
| C38 | C39 | H21 | 119.6° | 120.0° |
| C39 | C34 | P31 | 120.9° | 120.0° |
| C39 | C34 | C35 | 118.3° | 120.0° |
| C34 | C39 | H21 | 119.6° | 120.0° |
| C38 | C37 | C36 | 119.2° | 120.0° |
| C38 | C37 | H19 | 120.4° | 120.0° |
| C37 | C38 | H20 | 119.8° | 120.0° |
| C46 | C45 | C32 | 121.5° | 120.0° |
| C45 | C46 | C47 | 120.0° | 120.0° |
| C46 | C45 | H27 | 119.2° | 120.0° |
| C45 | C46 | H28 | 120.0° | 120.0° |
| C45 | C32 | P31 | 123.7° | 120.0° |
| C45 | C32 | C49 | 117.7° | 120.0° |
| C32 | C45 | H27 | 119.2° | 120.0° |
| C34 | P31 | C32 | 140.3° | 90.0° |
| C34 | P31 | C30 | 90.9° | 90.0° |
| P31 | C34 | C35 | 120.8° | 120.0° |
| C32 | P31 | C30 | 95.6° | 120.0° |
| P31 | C32 | C49 | 118.6° | 120.0° |
| P31 | C30 | C50 | 114.7° | 109.5° |
| P31 | C30 | H15 | 108.1° | 109.5° |
| P31 | C30 | H16 | 108.1° | 109.4° |
| C34 | C35 | C36 | 121.0° | 120.0° |
| C34 | C35 | H17 | 119.5° | 119.9° |
| C46 | C47 | C48 | 119.1° | 120.0° |
| C47 | C46 | H28 | 120.0° | 120.0° |
| C46 | C47 | H29 | 120.4° | 120.0° |
| C37 | C36 | C35 | 120.2° | 120.0° |
| C37 | C36 | H18 | 119.9° | 120.0° |
| C36 | C37 | H19 | 120.4° | 120.0° |
| C32 | C49 | C48 | 120.8° | 120.0° |
| C32 | C49 | H31 | 119.6° | 119.9° |
| C36 | C35 | H17 | 119.5° | 120.0° |
| C35 | C36 | H18 | 119.9° | 120.0° |
| C47 | C48 | C49 | 120.8° | 120.0° |
| C48 | C47 | H29 | 120.4° | 120.0° |
| C47 | C48 | H30 | 119.6° | 120.0° |
| C49 | C48 | H30 | 119.6° | 120.0° |
| C48 | C49 | H31 | 119.6° | 120.1° |
| C51 | O29 | C23 | 108.8° | 117.0° |
| O29 | C51 | C50 | 103.6° | 109.5° |
| O29 | C51 | H34 | 110.9° | 109.4° |
| O29 | C51 | H35 | 110.9° | 109.5° |
| O29 | C23 | C24 | 116.5° | 119.1° |
| O29 | C23 | C22 | 121.4° | 119.2° |
| C51 | C50 | C30 | 110.1° | 109.4° |
| C51 | C50 | H32 | 109.3° | 109.5° |
| C51 | C50 | H33 | 109.3° | 109.4° |
| C50 | C51 | H34 | 110.9° | 109.4° |
| C50 | C51 | H35 | 110.9° | 109.5° |
| C50 | C30 | H15 | 108.2° | 109.5° |
| C50 | C30 | H16 | 108.1° | 109.5° |
| C30 | C50 | H32 | 109.3° | 109.5° |
| C30 | C50 | H33 | 109.3° | 109.5° |
| C24 | C23 | C22 | 122.0° | 121.8° |
| C23 | C24 | C15 | 116.8° | 119.5° |
| C23 | C24 | H10 | 121.6° | 120.3° |
| C23 | C22 | C21 | 120.5° | 121.9° |
| C23 | C22 | H9 | 119.7° | 119.1° |
| C24 | C15 | C16 | 130.8° | 135.2° |
| C24 | C15 | C14 | 122.1° | 118.7° |
| C15 | C24 | H10 | 121.6° | 120.3° |
| C22 | C21 | C14 | 118.0° | 119.6° |
| C22 | C21 | H8 | 121.0° | 120.2° |
| C21 | C22 | H9 | 119.7° | 119.1° |
| C16 | C15 | C14 | 107.1° | 106.1° |
| C15 | C16 | N12 | 105.8° | 108.5° |
| C15 | C16 | H5 | 127.1° | 125.7° |
| C15 | C14 | C21 | 120.5° | 118.6° |
| C15 | C14 | C13 | 107.4° | 106.2° |
| C21 | C14 | C13 | 132.1° | 135.2° |
| C14 | C21 | H8 | 121.0° | 120.2° |
| C16 | N12 | C13 | 114.4° | 110.6° |
| C16 | N12 | C08 | 123.6° | 124.7° |
| N12 | C16 | H5 | 127.0° | 125.8° |
| C14 | C13 | N12 | 105.3° | 108.5° |
| C14 | C13 | H4 | 127.4° | 125.8° |
| O09 | C07 | C05 | 123.1° | 120.0° |
| O09 | C07 | N10 | 121.6° | 120.0° |
| C04 | C03 | C02 | 117.5° | 120.3° |
| C03 | C04 | C05 | 120.0° | 120.3° |
| C04 | C03 | H1 | 121.2° | 119.9° |
| C03 | C04 | H2 | 120.0° | 119.9° |
| C03 | C02 | O52 | 119.6° | 120.0° |
| C03 | C02 | C01 | 122.6° | 120.0° |
| C02 | C03 | H1 | 121.2° | 119.9° |
| C04 | C05 | C07 | 118.1° | 120.0° |
| C04 | C05 | C06 | 121.8° | 120.0° |
| C05 | C04 | H2 | 120.0° | 119.8° |
| O52 | C02 | C01 | 117.8° | 120.0° |
| C02 | O52 | H36 | 109.5° | 114.0° |
| C02 | C01 | C06 | 120.1° | 119.7° |
| C02 | C01 | C08 | 111.7° | 120.1° |
| C13 | N12 | C08 | 122.0° | 124.7° |
| N12 | C13 | H4 | 127.4° | 125.7° |
| N12 | C08 | C01 | 121.4° | 120.0° |
| N12 | C08 | O11 | 114.7° | 120.0° |
| C07 | C05 | C06 | 120.0° | 120.0° |
| C05 | C07 | N10 | 115.4° | 120.0° |
| C05 | C06 | C01 | 117.7° | 119.8° |
| C05 | C06 | H3 | 121.1° | 120.1° |
| C07 | N10 | C17 | 128.0° | 124.7° |
| C07 | N10 | C20 | 120.4° | 124.7° |
| C06 | C01 | C08 | 128.0° | 120.1° |
| C01 | C06 | H3 | 121.1° | 120.2° |
| C01 | C08 | O11 | 123.3° | 120.0° |
| C17 | N10 | C20 | 111.6° | 110.6° |
| N10 | C17 | C18 | 107.0° | 108.6° |
| N10 | C17 | H6 | 126.5° | 125.7° |
| N10 | C20 | C19 | 108.6° | 108.6° |
| N10 | C20 | H7 | 125.7° | 125.7° |
| C17 | C18 | C19 | 106.9° | 106.1° |
| C17 | C18 | C25 | 133.9° | 135.3° |
| C18 | C17 | H6 | 126.5° | 125.7° |
| C20 | C19 | C18 | 106.0° | 106.2° |
| C20 | C19 | C28 | 132.1° | 135.3° |
| C19 | C20 | H7 | 125.7° | 125.7° |
| C19 | C18 | C25 | 119.2° | 118.6° |
| C18 | C19 | C28 | 121.9° | 118.6° |
| C18 | C25 | C26 | 119.0° | 119.5° |
| C18 | C25 | H11 | 120.5° | 120.3° |
| C19 | C28 | C27 | 118.6° | 119.5° |
| C19 | C28 | H14 | 120.7° | 120.3° |
| C25 | C26 | C27 | 121.4° | 121.9° |
| C26 | C25 | H11 | 120.5° | 120.2° |
| C25 | C26 | H12 | 119.3° | 119.1° |
| C28 | C27 | C26 | 119.9° | 121.9° |
| C28 | C27 | H13 | 120.1° | 119.1° |
| C27 | C28 | H14 | 120.7° | 120.3° |
| C27 | C26 | H12 | 119.3° | 119.0° |
| C26 | C27 | H13 | 120.0° | 119.0° |
| H15 | C30 | H16 | 109.5° | 109.5° |
| H32 | C50 | H33 | 109.5° | 109.5° |
| H34 | C51 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C43 | C42 | C41 | H24 | 180.0° | 179.8° |
| C42 | C43 | C44 | H25 | 180.0° | 179.8° |
| C43 | C42 | C41 | C40 | 0.1° | 0.1° |
| C42 | C43 | C44 | C33 | 0.0° | 0.5° |
| C43 | C42 | C41 | H23 | 180.0° | 179.9° |
| C42 | C43 | C44 | H26 | 180.0° | 179.9° |
| C41 | C42 | C43 | C44 | 0.1° | 0.2° |
| C42 | C41 | C40 | H23 | 180.0° | 180.0° |
| C42 | C41 | C40 | C33 | 0.1° | 0.1° |
| C42 | C41 | C40 | H22 | 179.9° | 180.0° |
| C41 | C42 | C43 | H25 | 179.9° | 180.0° |
| C43 | C44 | C33 | H26 | 180.0° | 179.4° |
| C43 | C44 | C33 | C40 | 0.1° | 0.5° |
| C43 | C44 | C33 | P31 | 179.9° | 179.7° |
| C44 | C43 | C42 | H24 | 179.9° | 180.0° |
| C41 | C40 | C33 | C44 | 0.1° | 0.3° |
| C41 | C40 | C33 | H22 | 180.0° | 180.0° |
| C41 | C40 | C33 | P31 | 180.0° | 180.0° |
| C40 | C41 | C42 | H24 | 179.9° | 179.7° |
| C44 | C33 | C40 | P31 | 179.8° | 179.7° |
| C44 | C33 | P31 | C34 | 136.3° | 106.7° |
| C44 | C33 | P31 | C32 | 9.3° | 163.3° |
| C44 | C33 | P31 | C30 | 126.0° | 16.7° |
| C44 | C33 | C40 | H22 | 179.8° | 179.7° |
| C33 | C44 | C43 | H25 | 180.0° | 179.7° |
| C40 | C33 | P31 | C34 | 43.9° | 73.0° |
| C40 | C33 | P31 | C32 | 170.5° | 17.0° |
| C40 | C33 | P31 | C30 | 53.9° | 163.0° |
| C33 | C40 | C41 | H23 | 179.9° | 180.0° |
| C40 | C33 | C44 | H26 | 179.9° | 180.0° |
| C33 | P31 | C34 | C39 | 67.6° | 120.3° |
| C33 | P31 | C32 | C45 | 48.7° | 170.5° |
| C33 | P31 | C34 | C32 | 121.0° | 120.0° |
| C33 | P31 | C34 | C30 | 139.1° | 120.0° |
| C33 | P31 | C32 | C30 | 143.6° | 180.0° |
| C33 | P31 | C34 | C35 | 113.0° | 60.0° |
| C33 | P31 | C32 | C49 | 132.4° | 9.2° |
| C33 | P31 | C30 | C50 | 98.9° | 90.0° |
| C33 | P31 | C30 | H15 | 21.9° | 30.0° |
| C33 | P31 | C30 | H16 | 140.4° | 150.0° |
| P31 | C33 | C40 | H22 | 0.0° | 0.0° |
| P31 | C33 | C44 | H26 | 0.1° | 0.3° |
| C38 | C39 | C34 | H21 | 180.0° | 179.4° |
| C39 | C38 | C37 | H20 | 180.0° | 179.7° |
| C38 | C39 | C34 | P31 | 179.6° | 179.7° |
| C38 | C39 | C34 | C35 | 0.2° | 0.6° |
| C39 | C38 | C37 | C36 | 0.1° | 0.3° |
| C39 | C38 | C37 | H19 | 180.0° | 179.8° |
| C34 | C39 | C38 | C37 | 0.2° | 0.6° |
| C39 | C34 | P31 | C35 | 179.4° | 179.7° |
| C39 | C34 | P31 | C32 | 53.4° | 119.7° |
| C39 | C34 | P31 | C30 | 153.3° | 0.3° |
| C39 | C34 | C35 | C36 | 0.2° | 0.3° |
| C39 | C34 | C35 | H17 | 179.8° | 179.7° |
| C34 | C39 | C38 | H20 | 179.8° | 179.7° |
| C38 | C37 | C36 | H19 | 180.0° | 179.9° |
| C38 | C37 | C36 | C35 | 0.0° | 0.0° |
| C38 | C37 | C36 | H18 | 180.0° | 179.9° |
| C37 | C38 | C39 | H21 | 179.8° | 180.0° |
| C46 | C45 | C32 | H27 | 180.0° | 179.9° |
| C46 | C45 | C32 | P31 | 178.5° | 180.0° |
| C45 | C46 | C47 | H28 | 180.0° | 180.0° |
| C46 | C45 | C32 | C49 | 0.5° | 0.3° |
| C45 | C46 | C47 | C48 | 0.7° | 0.0° |
| C45 | C46 | C47 | H29 | 179.3° | 180.0° |
| C45 | C32 | P31 | C34 | 166.9° | 80.6° |
| C45 | C32 | P31 | C49 | 178.9° | 179.8° |
| C45 | C32 | P31 | C30 | 94.9° | 9.4° |
| C32 | C45 | C46 | C47 | 1.0° | 0.1° |
| C45 | C32 | C49 | C48 | 0.2° | 0.4° |
| C32 | C45 | C46 | H28 | 179.0° | 180.0° |
| C45 | C32 | C49 | H31 | 179.8° | 179.7° |
| C34 | P31 | C32 | C30 | 98.2° | 90.0° |
| C34 | P31 | C32 | C49 | 14.2° | 99.2° |
| P31 | C34 | C35 | C36 | 179.6° | 180.0° |
| C34 | P31 | C30 | C50 | 161.6° | 180.0° |
| C34 | P31 | C30 | H15 | 77.7° | 60.0° |
| C34 | P31 | C30 | H16 | 40.8° | 60.0° |
| P31 | C34 | C35 | H17 | 0.4° | 0.1° |
| P31 | C34 | C39 | H21 | 0.3° | 0.3° |
| C32 | P31 | C34 | C35 | 126.0° | 60.0° |
| P31 | C32 | C49 | C48 | 179.2° | 179.8° |
| C32 | P31 | C30 | C50 | 20.7° | 90.0° |
| C32 | P31 | C30 | H15 | 141.5° | 150.0° |
| C32 | P31 | C30 | H16 | 100.0° | 30.0° |
| P31 | C32 | C45 | H27 | 1.5° | 0.0° |
| P31 | C32 | C49 | H31 | 0.8° | 0.0° |
| C30 | P31 | C34 | C35 | 26.1° | 180.0° |
| C30 | P31 | C32 | C49 | 84.0° | 170.8° |
| P31 | C30 | C50 | C51 | 73.8° | 180.0° |
| P31 | C30 | C50 | H15 | 120.8° | 120.0° |
| P31 | C30 | C50 | H16 | 120.7° | 120.0° |
| P31 | C30 | H15 | H16 | 117.6° | 119.9° |
| P31 | C30 | C50 | H32 | 46.3° | 60.0° |
| P31 | C30 | C50 | H33 | 166.1° | 60.0° |
| C34 | C35 | C36 | C37 | 0.1° | 0.0° |
| C34 | C35 | C36 | H17 | 180.0° | 179.9° |
| C34 | C35 | C36 | H18 | 179.9° | 179.9° |
| C35 | C34 | C39 | H21 | 179.7° | 180.0° |
| C46 | C47 | C48 | H29 | 180.0° | 180.0° |
| C46 | C47 | C48 | C49 | 0.0° | 0.2° |
| C47 | C46 | C45 | H27 | 179.0° | 180.0° |
| C46 | C47 | C48 | H30 | 180.0° | 179.9° |
| C37 | C36 | C35 | H18 | 180.0° | 180.0° |
| C37 | C36 | C35 | H17 | 179.9° | 180.0° |
| C36 | C37 | C38 | H20 | 180.0° | 180.0° |
| C32 | C49 | C48 | C47 | 0.5° | 0.4° |
| C32 | C49 | C48 | H31 | 180.0° | 179.8° |
| C49 | C32 | C45 | H27 | 179.6° | 179.8° |
| C32 | C49 | C48 | H30 | 179.5° | 179.8° |
| C35 | C36 | C37 | H19 | 180.0° | 179.9° |
| C47 | C48 | C49 | H30 | 180.0° | 179.9° |
| C48 | C47 | C46 | H28 | 179.2° | 180.0° |
| C47 | C48 | C49 | H31 | 179.5° | 179.8° |
| C49 | C48 | C47 | H29 | 180.0° | 179.9° |
| O29 | C51 | C50 | H34 | 119.1° | 119.9° |
| O29 | C51 | C50 | H35 | 119.1° | 120.0° |
| O29 | C51 | C50 | C30 | 35.3° | 180.0° |
| C51 | O29 | C23 | C24 | 54.1° | 180.0° |
| C51 | O29 | C23 | C22 | 125.5° | 0.1° |
| O29 | C51 | C50 | H32 | 155.4° | 60.0° |
| O29 | C51 | C50 | H33 | 84.7° | 60.0° |
| O29 | C51 | H34 | H35 | 122.7° | 120.0° |
| C23 | O29 | C51 | C50 | 98.9° | 180.0° |
| O29 | C23 | C24 | C22 | 179.6° | 179.9° |
| O29 | C23 | C24 | C15 | 179.4° | 180.0° |
| O29 | C23 | C22 | C21 | 178.9° | 179.9° |
| O29 | C23 | C22 | H9 | 1.2° | 0.0° |
| O29 | C23 | C24 | H10 | 0.6° | 0.0° |
| C23 | O29 | C51 | H34 | 142.0° | 60.0° |
| C23 | O29 | C51 | H35 | 20.1° | 60.0° |
| C51 | C50 | C30 | H32 | 120.1° | 120.0° |
| C51 | C50 | C30 | H33 | 120.1° | 119.9° |
| C51 | C50 | C30 | H15 | 46.9° | 60.0° |
| C51 | C50 | C30 | H16 | 165.4° | 60.1° |
| C51 | C50 | H32 | H33 | 119.7° | 119.9° |
| C50 | C51 | H34 | H35 | 122.7° | 120.1° |
| C50 | C30 | H15 | H16 | 117.6° | 120.1° |
| C30 | C50 | H32 | H33 | 119.7° | 120.1° |
| C30 | C50 | C51 | H34 | 83.7° | 60.1° |
| C30 | C50 | C51 | H35 | 154.4° | 60.0° |
| C23 | C24 | C15 | H10 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 1.6° | 0.0° |
| C23 | C24 | C15 | C16 | 178.1° | 179.7° |
| C23 | C24 | C15 | C14 | 0.2° | 0.0° |
| C24 | C23 | C22 | H9 | 178.4° | 180.0° |
| C22 | C23 | C24 | C15 | 1.0° | 0.0° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C23 | C22 | C21 | C14 | 1.3° | 0.0° |
| C23 | C22 | C21 | H8 | 178.7° | 180.0° |
| C22 | C23 | C24 | H10 | 179.0° | 180.0° |
| C24 | C15 | C16 | C14 | 178.1° | 179.7° |
| C24 | C15 | C14 | C21 | 0.0° | 0.0° |
| C24 | C15 | C16 | N12 | 177.6° | 179.9° |
| C24 | C15 | C14 | C13 | 178.3° | 180.0° |
| C24 | C15 | C16 | H5 | 2.5° | 0.3° |
| C22 | C21 | C14 | C15 | 0.5° | 0.0° |
| C22 | C21 | C14 | H8 | 180.0° | 180.0° |
| C22 | C21 | C14 | C13 | 177.3° | 180.0° |
| C16 | C15 | C14 | C21 | 178.3° | 179.8° |
| C15 | C16 | N12 | H5 | 180.0° | 179.7° |
| C16 | C15 | C14 | C13 | 0.0° | 0.2° |
| C15 | C16 | N12 | C13 | 0.9° | 0.4° |
| C15 | C16 | N12 | C08 | 179.9° | 179.9° |
| C16 | C15 | C24 | H10 | 1.9° | 0.3° |
| C15 | C14 | C21 | C13 | 177.8° | 180.0° |
| C14 | C15 | C16 | N12 | 0.5° | 0.4° |
| C15 | C14 | C13 | N12 | 0.5° | 0.0° |
| C15 | C14 | C13 | H4 | 179.5° | 180.0° |
| C14 | C15 | C16 | H5 | 179.4° | 180.0° |
| C15 | C14 | C21 | H8 | 179.5° | 180.0° |
| C14 | C15 | C24 | H10 | 179.7° | 180.0° |
| C21 | C14 | C13 | N12 | 177.5° | 180.0° |
| C21 | C14 | C13 | H4 | 2.5° | 0.0° |
| C14 | C21 | C22 | H9 | 178.7° | 180.0° |
| C16 | N12 | C13 | C14 | 0.9° | 0.3° |
| C16 | N12 | C13 | C08 | 178.9° | 179.7° |
| C16 | N12 | C08 | C01 | 4.8° | 174.5° |
| C16 | N12 | C08 | O11 | 175.6° | 5.5° |
| C16 | N12 | C13 | H4 | 179.1° | 179.8° |
| C14 | C13 | N12 | H4 | 180.0° | 180.0° |
| C14 | C13 | N12 | C08 | 179.9° | 180.0° |
| C13 | C14 | C21 | H8 | 2.7° | 0.1° |
| O09 | C07 | C05 | C04 | 81.4° | 160.2° |
| O09 | C07 | C05 | N10 | 179.5° | 180.0° |
| O09 | C07 | C05 | C06 | 101.6° | 19.8° |
| O09 | C07 | N10 | C17 | 0.2° | 24.6° |
| O09 | C07 | N10 | C20 | 179.4° | 155.1° |
| C04 | C03 | C02 | H1 | 180.0° | 180.0° |
| C03 | C04 | C05 | H2 | 180.0° | 179.9° |
| C04 | C03 | C02 | O52 | 179.9° | 180.0° |
| C04 | C03 | C02 | C01 | 1.8° | 0.0° |
| C03 | C04 | C05 | C07 | 177.8° | 180.0° |
| C03 | C04 | C05 | C06 | 0.9° | 0.1° |
| C02 | C03 | C04 | C05 | 0.6° | 0.0° |
| C03 | C02 | O52 | C01 | 178.2° | 180.0° |
| C03 | C02 | C01 | C06 | 3.9° | 0.0° |
| C03 | C02 | C01 | C08 | 178.7° | 179.7° |
| C02 | C03 | C04 | H2 | 179.4° | 180.0° |
| C03 | C02 | O52 | H36 | 164.0° | 90.0° |
| C04 | C05 | C07 | C06 | 177.0° | 180.0° |
| C04 | C05 | C07 | N10 | 99.1° | 19.8° |
| C04 | C05 | C06 | C01 | 1.2° | 0.1° |
| C05 | C04 | C03 | H1 | 179.4° | 180.0° |
| C04 | C05 | C06 | H3 | 178.8° | 179.7° |
| O52 | C02 | C01 | C06 | 177.9° | 180.0° |
| O52 | C02 | C01 | C08 | 3.2° | 0.3° |
| O52 | C02 | C03 | H1 | 0.1° | 0.1° |
| C02 | C01 | C08 | N12 | 119.8° | 76.4° |
| C02 | C01 | C06 | C05 | 3.5° | 0.1° |
| C02 | C01 | C06 | C08 | 173.8° | 179.7° |
| C02 | C01 | C08 | O11 | 50.3° | 103.6° |
| C01 | C02 | C03 | H1 | 178.2° | 180.0° |
| C02 | C01 | C06 | H3 | 176.5° | 179.7° |
| C01 | C02 | O52 | H36 | 14.2° | 90.0° |
| C13 | N12 | C08 | C01 | 174.0° | 5.1° |
| C13 | N12 | C08 | O11 | 3.2° | 174.8° |
| C13 | N12 | C16 | H5 | 179.1° | 179.9° |
| N12 | C08 | C01 | C06 | 54.5° | 103.9° |
| N12 | C08 | C01 | O11 | 170.0° | 180.0° |
| C08 | N12 | C13 | H4 | 0.1° | 0.1° |
| C08 | N12 | C16 | H5 | 0.1° | 0.2° |
| C07 | C05 | C06 | C01 | 175.7° | 180.0° |
| C05 | C07 | N10 | C17 | 179.7° | 155.4° |
| C05 | C07 | N10 | C20 | 0.1° | 24.9° |
| C07 | C05 | C04 | H2 | 2.2° | 0.0° |
| C07 | C05 | C06 | H3 | 4.3° | 0.3° |
| C06 | C05 | C07 | N10 | 77.9° | 160.2° |
| C05 | C06 | C01 | H3 | 180.0° | 179.8° |
| C05 | C06 | C01 | C08 | 177.3° | 179.8° |
| C06 | C05 | C04 | H2 | 179.1° | 180.0° |
| C07 | N10 | C17 | C20 | 179.6° | 179.8° |
| C07 | N10 | C17 | C18 | 179.7° | 180.0° |
| C07 | N10 | C20 | C19 | 179.9° | 179.9° |
| C07 | N10 | C17 | H6 | 0.3° | 0.0° |
| C07 | N10 | C20 | H7 | 0.1° | 0.0° |
| C06 | C01 | C08 | O11 | 135.5° | 76.1° |
| C08 | C01 | C06 | H3 | 2.7° | 0.0° |
| N10 | C17 | C18 | H6 | 180.0° | 180.0° |
| C17 | N10 | C20 | C19 | 0.3° | 0.4° |
| N10 | C17 | C18 | C19 | 0.1° | 0.0° |
| N10 | C17 | C18 | C25 | 179.8° | 179.9° |
| C17 | N10 | C20 | H7 | 179.7° | 179.7° |
| C20 | N10 | C17 | C18 | 0.1° | 0.2° |
| N10 | C20 | C19 | H7 | 180.0° | 179.9° |
| N10 | C20 | C19 | C18 | 0.3° | 0.3° |
| N10 | C20 | C19 | C28 | 179.5° | 179.9° |
| C20 | N10 | C17 | H6 | 179.9° | 179.8° |
| C17 | C18 | C19 | C20 | 0.2° | 0.2° |
| C17 | C18 | C19 | C25 | 179.7° | 179.9° |
| C17 | C18 | C19 | C28 | 179.6° | 180.0° |
| C17 | C18 | C25 | C26 | 179.4° | 179.9° |
| C17 | C18 | C25 | H11 | 0.6° | 0.1° |
| C20 | C19 | C18 | C28 | 179.8° | 179.8° |
| C20 | C19 | C18 | C25 | 180.0° | 179.7° |
| C20 | C19 | C28 | C27 | 179.9° | 179.7° |
| C20 | C19 | C28 | H14 | 0.1° | 0.2° |
| C19 | C18 | C25 | C26 | 0.2° | 0.0° |
| C18 | C19 | C28 | C27 | 0.1° | 0.1° |
| C19 | C18 | C17 | H6 | 179.9° | 180.0° |
| C18 | C19 | C20 | H7 | 179.7° | 179.8° |
| C19 | C18 | C25 | H11 | 179.8° | 180.0° |
| C18 | C19 | C28 | H14 | 179.9° | 180.0° |
| C25 | C18 | C19 | C28 | 0.1° | 0.1° |
| C18 | C25 | C26 | H11 | 180.0° | 180.0° |
| C18 | C25 | C26 | C27 | 0.3° | 0.0° |
| C25 | C18 | C17 | H6 | 0.2° | 0.1° |
| C18 | C25 | C26 | H12 | 179.6° | 180.0° |
| C19 | C28 | C27 | H14 | 180.0° | 179.9° |
| C19 | C28 | C27 | C26 | 0.2° | 0.0° |
| C28 | C19 | C20 | H7 | 0.5° | 0.0° |
| C19 | C28 | C27 | H13 | 179.8° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.0° |
| C25 | C26 | C27 | H12 | 180.0° | 180.0° |
| C25 | C26 | C27 | H13 | 179.7° | 179.9° |
| C28 | C27 | C26 | H13 | 180.0° | 179.9° |
| C28 | C27 | C26 | H12 | 179.7° | 180.0° |
| C27 | C26 | C25 | H11 | 179.7° | 180.0° |
| C26 | C27 | C28 | H14 | 179.8° | 180.0° |
| H1 | C03 | C04 | H2 | 0.6° | 0.1° |
| H8 | C21 | C22 | H9 | 1.3° | 0.0° |
| H11 | C25 | C26 | H12 | 0.4° | 0.1° |
| H12 | C26 | C27 | H13 | 0.4° | 0.1° |
| H13 | C27 | C28 | H14 | 0.2° | 0.2° |
| H15 | C30 | C50 | H32 | 167.0° | 180.0° |
| H15 | C30 | C50 | H33 | 73.2° | 60.0° |
| H16 | C30 | C50 | H32 | 74.5° | 60.0° |
| H16 | C30 | C50 | H33 | 45.3° | 180.0° |
| H17 | C35 | C36 | H18 | 0.1° | 0.0° |
| H18 | C36 | C37 | H19 | 0.0° | 0.0° |
| H19 | C37 | C38 | H20 | 0.0° | 0.1° |
| H20 | C38 | C39 | H21 | 0.2° | 0.3° |
| H22 | C40 | C41 | H23 | 0.1° | 0.0° |
| H23 | C41 | C42 | H24 | 0.1° | 0.2° |
| H24 | C42 | C43 | H25 | 0.1° | 0.2° |
| H25 | C43 | C44 | H26 | 0.0° | 0.2° |
| H27 | C45 | C46 | H28 | 1.0° | 0.0° |
| H28 | C46 | C47 | H29 | 0.8° | 0.1° |
| H29 | C47 | C48 | H30 | 0.0° | 0.0° |
| H30 | C48 | C49 | H31 | 0.5° | 0.1° |
| H32 | C50 | C51 | H34 | 36.4° | 60.0° |
| H32 | C50 | C51 | H35 | 85.5° | 180.0° |
| H33 | C50 | C51 | H34 | 156.2° | 179.9° |
| H33 | C50 | C51 | H35 | 34.3° | 60.0° |
